KEGG   COMPOUND: C10387Help
Entry
C10387                      Compound                               

Name
Plumbagin
Formula
C11H8O3
Exact mass
188.0473
Mol weight
188.1794
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 481-42-5
PubChem: 12573
ChEBI: 8273
ChEMBL: CHEMBL295316
KNApSAcK: C00002852
3DMET: B03800
NIKKAJI: J5.778I
LinkDB All DBs
KCF data Show

ATOM        14
            1   C8y C    27.4404  -18.7958
            2   C8y C    27.4346  -20.1943
            3   C5x C    28.6583  -18.1024
            4   C8x C    26.2341  -18.0965
            5   C5x C    28.6466  -20.9053
            6   C8y C    26.2341  -20.8995
            7   C2y C    29.8703  -18.8017
            8   O5x O    28.6640  -16.6981
            9   C8x C    25.0221  -18.7958
            10  C2x C    29.8645  -20.2060
            11  O5x O    28.6407  -22.3039
            12  C8x C    25.0221  -20.1943
            13  O1a O    26.2341  -22.2981
            14  C1a C    31.0882  -18.1141
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    7  10 2
            15    9  12 1

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